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首页> 外文期刊>Acta crystallographica. Section D, Biological crystallography. >Elastic and inelastic diffraction changes upon variation of the relative humidity environment of PurE crystals
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Elastic and inelastic diffraction changes upon variation of the relative humidity environment of PurE crystals

机译：弹性和非弹性衍射的变化环境相对湿度的变化纯净的水晶

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摘要

The different changes observed in the diffraction patterns of three different crystal forms (hexagonal, trigonal and monoclinic) of PurE (EC 4.1.1.21), an enzyme from the purine-biosynthesis pathway of Bacillus anthracis, upon a wide range of changes in the relative humidity environment of the crystals are documented. In addition, the changes in the unit-cell parameters, volume and bulk solvent in the three different crystal forms were systematically followed. In an attempt to explain the elastic (P6522) and inelastic (P3121) changes in the diffraction pattern, refined structures of the three different crystal forms determined at 100K are presented, with particular emphasis on the tertiary and quaternary structural differences, crystal packing, intermolecular and intra molecular interactions and solvent structure. The refined structures show that the precipitant salts, solvent structure (both ordered and bulk) and conformation of the C-termini all play a role in creating a unique cement at both the intramolecular and intermolecular contacts of the different crystal forms. It is suggested that it is the combination of polyethylene glycol and the structure of the ordered water molecules (first and second layers) as well as the structure of the bulk solvent that are the critical factors in the plasticity of the hexagonal crystal packing as opposed to the inelastic responses of the lower symmetry forms.
机译：不同的变化观察到衍射三个不同的晶体形式的模式(六角,三角形和单斜)精(EC的从purine-biosynthesis 4.1.1.21),一种酶炭疽杆菌的途径,广泛相对湿度变化的环境晶体的记录。晶胞参数的变化,体积和大部分溶剂的三个不同的晶体形式被系统地跟踪。解释弹性(P6522)和非弹性(P3121)衍射图样的变化,雅致三个不同的水晶的结构形式确定了在100 k,特别强调三级和四级结构上的差异,水晶包装,分子间和分子内的相互作用和溶剂结构。表明,沉淀剂盐、溶剂(命令和散装)和结构构象的c终端都在扮演一个角色创建一个独特的水泥在分子内和分子间的联系不同的晶体形式。结合聚乙二醇和吗水分子有序结构(第一和第二层次)的结构大部分溶剂的关键因素六角晶体塑性的包装相对于的非弹性反应低对称形式。

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